SCHEMBL4013204

SCHEMBL4013204

CCCCc1nc(C)n(-c2ccccc2)c(=O)c1Cc1cccc(-c2ccccc2)c1F

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27792402 0.81 HSD11B1 (0.42) CYP2C19
SCHEMBL1892295 0.77 SLC33A1 (0.39)
SCHEMBL27771405 0.77 CYP19A1 (0.36)
SCHEMBL2871115 0.77 ACHE (0.45)
SCHEMBL1892338 0.77 APLNR (0.36) CYP2C19MAPT
SCHEMBL27771379 0.76 CYP19A1 (0.40)
SCHEMBL1895939 0.76 ACHE (0.41)
SCHEMBL4313277 0.76 CD274 (0.41)
SCHEMBL1890017 0.75 SLC33A1 (0.38) ALDH1A1
SCHEMBL1892333 0.74 SLC33A1 (0.57)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 WO disclosed